# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 E C C 115.32 5.47 20.86 26.91 115.53 -137.30 -89.22 131.57 99.66 0.34 0.00 99.62 0.09 0.02 0.00 0.00 0.00 0.26 0.01 1 I C C 40.97 19.24 12.60 31.17 118.61 -152.54 -103.76 129.62 56.83 43.03 0.15 56.06 0.42 0.20 0.03 0.08 0.00 42.52 0.70 2 V E E 63.02 7.99 20.26 29.26 119.87 -164.51 -114.47 128.63 15.79 83.65 0.56 14.35 1.20 0.42 0.17 0.36 0.00 82.67 0.81 3 M E E 54.23 17.36 14.63 31.65 117.27 -151.31 -102.81 127.31 12.01 87.52 0.47 11.00 0.88 0.32 0.14 0.29 0.00 86.69 0.68 4 M E E 85.80 8.68 19.21 28.63 114.50 -169.13 -110.01 120.00 21.91 77.58 0.51 18.59 2.52 0.74 0.12 0.37 0.00 76.82 0.84 5 Q E E 76.27 12.14 15.77 28.17 124.23 16.06 -118.24 138.51 46.41 53.12 0.47 33.61 11.63 1.70 0.09 0.41 0.00 51.59 0.98 6 S C C 58.22 8.69 16.94 26.54 121.79 -139.26 -100.75 143.77 76.87 22.86 0.27 46.10 27.74 2.60 0.04 0.28 0.00 22.28 0.96 7 P C S 72.29 8.08 17.04 25.78 110.17 -35.00 -71.02 146.11 86.57 12.85 0.58 20.97 45.72 18.73 0.03 0.67 0.00 13.34 0.53 8 G C E 32.81 10.20 17.44 27.79 110.88 -134.23 74.23 -57.65 55.39 44.06 0.56 21.60 23.90 9.97 0.04 0.64 0.00 43.22 0.63 9 T E E 71.26 8.81 19.20 28.75 128.82 4.48 -129.15 140.69 24.62 75.21 0.17 21.77 1.99 0.38 0.02 0.14 0.00 75.23 0.47 10 L E E 25.84 19.75 15.25 34.71 126.74 -170.24 -127.21 138.63 4.00 96.00 0.01 3.64 0.23 0.02 0.00 0.00 0.00 95.89 0.21 11 S E E 63.91 7.02 23.50 31.52 121.97 -156.01 -113.91 133.37 2.54 97.46 0.00 2.32 0.12 0.01 0.00 0.00 0.00 97.45 0.10 12 L E E 16.87 21.16 13.87 34.75 132.53 173.65 -134.99 150.23 14.23 85.76 0.01 13.70 0.49 0.02 0.00 0.01 0.00 84.43 1.35 13 S C C 52.87 4.77 23.46 27.93 121.86 -124.77 -86.47 157.23 94.35 5.62 0.03 93.52 1.06 0.08 0.00 0.01 0.00 4.91 0.41 14 P C T 62.66 13.38 14.47 28.03 109.45 -81.57 -59.77 135.47 99.13 0.39 0.48 0.28 2.54 96.58 0.03 0.30 0.00 0.20 0.07 15 G C T 46.60 4.27 19.38 24.46 96.00 23.11 88.53 -6.55 99.27 0.30 0.43 0.50 3.00 95.94 0.03 0.30 0.00 0.20 0.03 16 E C C 83.13 8.35 17.94 27.37 121.91 117.27 -85.13 149.30 91.67 8.03 0.30 74.87 16.24 0.55 0.05 0.26 0.00 7.23 0.80 17 R E E 122.79 9.84 18.84 29.65 124.70 -137.80 -110.34 142.48 43.82 56.13 0.06 42.86 0.81 0.08 0.01 0.04 0.00 55.08 1.13 18 A E E 9.27 21.47 15.83 37.28 130.42 -170.51 -128.87 148.40 2.89 97.10 0.01 2.72 0.10 0.01 0.00 0.00 0.00 97.03 0.13 19 T E E 63.64 8.96 24.90 34.40 121.44 -146.64 -113.84 133.10 1.37 98.63 0.00 1.22 0.06 0.00 0.00 0.00 0.00 98.67 0.04 20 L E E 5.65 25.37 17.15 43.01 122.98 -168.29 -117.47 132.81 5.39 94.60 0.01 4.81 0.34 0.02 0.00 0.00 0.00 94.74 0.09 21 S E E 35.32 10.40 26.60 37.47 125.54 -163.81 -118.58 143.03 13.08 86.90 0.01 11.65 0.72 0.04 0.00 0.01 0.00 87.45 0.13 22 C E E 4.89 25.10 16.94 42.35 133.00 -174.25 -136.25 148.85 11.09 88.88 0.02 10.29 0.50 0.04 0.00 0.02 0.00 88.77 0.38 23 R E E 109.97 6.89 26.54 34.19 121.63 -156.59 -116.91 133.63 5.84 94.14 0.03 5.47 0.28 0.03 0.02 0.02 0.00 91.48 2.71 24 A E E 8.72 23.94 11.75 35.37 119.15 -146.57 -92.32 140.32 42.92 56.75 0.33 40.95 1.60 0.29 0.08 0.23 0.00 54.99 1.86 25 S C S 75.69 3.34 21.53 25.02 97.67 -157.11 -86.73 -17.06 88.03 11.32 0.65 27.94 55.29 4.30 0.05 0.65 0.00 11.24 0.53 26 Q C S 90.72 4.48 20.29 25.32 135.13 24.00 -138.36 161.92 89.65 9.45 0.90 12.09 70.80 6.81 0.07 0.78 0.00 8.72 0.73 27 S C C 71.61 6.00 19.63 26.71 115.02 -92.90 -73.23 139.63 90.29 8.59 1.12 79.24 7.35 3.19 0.13 1.29 0.00 7.75 1.03 28 V C C 16.60 22.61 11.19 33.24 123.35 -158.68 -115.65 135.34 75.95 22.88 1.18 65.28 6.48 2.57 0.39 0.92 0.00 14.57 9.78 29 S C C 82.03 2.84 23.02 25.83 101.08 -159.78 -95.76 9.30 87.82 11.29 0.88 54.86 25.28 7.84 0.15 0.95 0.00 8.89 2.02 30 S C S 29.17 13.93 16.82 31.18 132.34 81.94 -123.74 159.98 87.03 11.58 1.38 36.63 41.54 9.21 0.16 1.42 0.00 9.49 1.54 31 S C S 51.98 11.34 21.00 32.54 96.89 -135.28 -86.01 -11.12 88.23 11.33 0.44 15.16 66.45 5.37 0.03 0.42 0.00 12.10 0.47 32 Y E E 55.32 14.02 23.78 38.09 129.74 51.38 -127.22 142.98 22.81 76.78 0.41 16.25 5.16 1.70 0.05 0.40 0.00 76.05 0.40 33 L E E 3.54 25.89 20.45 46.62 129.73 -171.54 -130.00 143.46 2.66 97.33 0.01 2.39 0.15 0.01 0.00 0.00 0.00 97.34 0.09 34 A E E 10.28 18.34 27.74 45.83 128.24 -162.76 -121.94 144.10 0.57 99.43 0.00 0.52 0.01 0.00 0.00 0.00 0.00 99.45 0.01 35 W E E 7.78 24.61 23.20 47.54 125.19 -158.19 -114.97 140.69 0.58 99.42 0.00 0.51 0.02 0.00 0.00 0.00 0.00 99.45 0.01 36 Y E E 22.31 17.86 23.75 41.52 133.66 -174.70 -133.39 150.01 0.82 99.18 0.00 0.71 0.03 0.00 0.00 0.00 0.00 99.22 0.03 37 Q E E 44.15 14.32 21.95 36.42 122.19 -142.38 -109.02 135.78 3.32 96.68 0.00 2.77 0.30 0.02 0.00 0.00 0.00 96.80 0.11 38 Q E E 52.89 14.34 15.57 30.33 120.25 -152.57 -106.17 136.53 30.05 69.93 0.02 27.09 2.09 0.09 0.00 0.02 0.00 69.44 1.27 39 K C C 100.16 6.18 15.72 23.20 118.76 -136.95 -91.67 145.29 98.16 1.81 0.03 96.06 2.12 0.20 0.01 0.02 0.00 1.30 0.30 40 P C T 103.51 3.98 11.56 17.54 109.47 -87.59 -58.70 134.31 99.58 0.11 0.31 0.47 3.66 95.47 0.01 0.31 0.00 0.07 0.03 41 G C T 68.72 0.32 13.17 10.97 95.59 18.37 83.57 -2.98 99.60 0.08 0.32 0.60 3.66 95.32 0.01 0.35 0.00 0.05 0.02 42 Q C S 89.02 5.63 10.33 18.06 129.42 97.92 -113.75 159.54 94.61 4.92 0.47 37.54 55.56 1.58 0.08 0.40 0.00 1.74 3.09 43 A C C 74.14 2.59 18.02 20.63 116.50 -98.80 -71.59 150.31 97.45 2.52 0.03 85.71 11.78 0.18 0.01 0.03 0.00 1.94 0.35 44 P C C 42.01 18.59 11.95 29.80 114.92 -100.12 -66.10 144.28 90.67 9.29 0.03 88.72 1.96 0.13 0.00 0.03 0.00 8.86 0.28 45 R E E 99.20 9.14 21.95 31.60 125.49 -160.62 -122.27 139.64 8.68 91.26 0.06 7.69 0.86 0.08 0.02 0.03 0.00 90.62 0.70 46 L E E 54.49 16.94 19.01 35.34 110.85 -114.85 -75.64 126.97 1.20 98.79 0.01 1.09 0.05 0.01 0.00 0.00 0.00 98.80 0.05 47 L E E 19.21 19.28 21.99 40.97 101.54 175.63 -96.04 -33.50 2.43 97.54 0.03 1.70 0.56 0.03 0.01 0.01 0.00 97.67 0.02 48 I E E 10.80 21.70 22.66 43.94 136.15 5.28 -146.65 142.62 0.75 99.24 0.01 0.61 0.06 0.01 0.01 0.00 0.00 99.30 0.02 49 Y E E 54.84 18.08 23.50 40.24 129.52 -173.25 -132.61 139.85 5.61 94.31 0.08 4.69 0.53 0.09 0.03 0.03 0.00 94.45 0.18 50 G E E 11.30 17.92 21.38 38.42 130.51 158.66 -132.37 165.38 41.74 57.36 0.90 25.81 13.06 3.93 0.20 0.67 0.00 55.59 0.74 51 A C C 36.98 13.34 19.87 33.09 112.35 -112.64 -93.56 139.11 68.54 25.50 5.96 29.93 24.37 16.43 1.36 4.18 0.04 21.51 2.17 52 S C T 57.35 10.54 17.80 28.11 103.24 -83.56 -81.81 -16.23 79.87 7.46 12.67 22.89 27.82 30.75 2.69 8.87 0.05 4.99 1.95 53 S C T 70.02 6.58 17.92 25.09 102.55 33.98 -87.52 1.24 75.57 7.65 16.77 20.64 26.74 30.34 3.85 11.20 0.07 5.04 2.11 54 R C C 123.86 8.19 17.13 25.92 111.05 55.66 -97.83 100.64 62.51 22.58 14.92 30.60 17.24 17.21 4.77 9.26 0.19 16.06 4.66 55 A C C 42.83 15.87 13.11 28.24 111.99 -141.68 -86.27 123.89 65.28 24.96 9.76 44.36 12.09 9.32 3.60 6.15 0.03 19.89 4.56 56 T C C 84.14 5.96 18.57 25.58 116.71 -167.65 -103.95 131.14 68.60 24.66 6.74 36.30 16.35 17.97 2.28 4.18 0.08 19.18 3.65 57 G C C 38.17 7.33 19.33 27.33 114.23 6.62 98.44 4.29 79.47 17.85 2.68 39.40 25.33 16.12 0.53 2.27 0.01 13.33 3.02 58 I C C 34.60 20.98 12.42 32.23 116.05 -64.51 -94.45 129.71 89.47 10.21 0.32 72.65 16.28 0.80 0.12 0.23 0.00 7.13 2.79 59 P C C 49.98 10.70 16.15 27.89 113.37 -113.66 -66.96 151.81 90.59 5.04 4.37 76.65 6.21 7.26 0.76 4.00 0.00 4.01 1.12 60 D C T 119.25 2.52 18.24 21.49 93.76 -107.98 -67.14 -18.44 81.83 3.58 14.59 12.28 24.59 45.05 1.15 13.57 0.02 2.51 0.84 61 R C T 106.39 10.16 17.79 28.13 97.30 61.55 -91.85 -5.50 72.00 12.76 15.24 13.34 20.82 38.94 1.21 13.45 0.03 11.04 1.16 62 F E E 22.32 23.27 12.68 35.08 120.40 77.62 -109.91 131.07 23.02 71.42 5.56 17.29 5.14 2.77 1.49 3.37 0.01 68.36 1.56 63 S E E 54.57 7.14 23.14 31.37 133.56 160.26 -134.24 153.83 10.42 89.27 0.30 8.76 1.50 0.35 0.15 0.15 0.00 88.21 0.89 64 G E E 23.04 17.02 16.15 32.35 141.51 164.66 -156.91 169.11 10.03 89.85 0.12 8.38 1.37 0.27 0.04 0.07 0.00 89.41 0.47 65 S E E 65.95 4.95 21.71 28.37 135.79 -160.29 -146.25 155.59 17.84 82.03 0.13 15.21 2.22 0.38 0.03 0.09 0.00 81.46 0.61 66 G E E 28.79 11.20 15.83 27.74 139.97 134.23 99.27 166.02 38.47 61.32 0.20 28.53 9.08 1.44 0.03 0.22 0.00 59.48 1.22 67 S C C 75.25 3.58 21.05 25.27 120.94 -105.34 -123.01 129.89 60.16 39.06 0.77 36.59 19.03 6.12 0.13 0.83 0.00 33.76 3.54 68 G C S 31.68 10.65 19.12 29.86 110.38 -41.51 65.15 -132.28 97.45 1.49 1.06 3.31 52.51 41.83 0.04 1.06 0.00 1.05 0.21 69 T C S 54.06 14.46 16.85 31.27 97.61 -7.01 -96.25 -2.48 97.22 1.88 0.90 3.20 52.74 41.52 0.03 0.86 0.00 1.45 0.20 70 D E E 61.17 8.77 22.66 32.54 118.03 85.15 -105.39 128.95 39.96 59.64 0.40 25.91 13.47 2.59 0.06 0.47 0.00 55.11 2.41 71 F E E 7.25 24.79 16.04 41.33 128.37 -174.09 -126.93 141.49 16.32 83.67 0.01 15.46 0.53 0.03 0.00 0.01 0.00 83.45 0.52 72 T E E 36.50 10.31 27.32 38.68 122.22 -161.93 -117.52 133.66 4.72 95.28 0.00 4.17 0.17 0.00 0.00 0.00 0.00 95.59 0.06 73 L E E 2.92 26.22 18.86 46.02 119.77 -163.40 -113.03 128.83 0.34 99.66 0.00 0.34 0.00 0.00 0.00 0.00 0.00 99.65 0.00 74 T E E 40.06 10.02 27.25 38.12 119.64 -164.51 -114.88 128.29 0.16 99.84 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.01 75 I E E 6.95 24.25 16.36 41.24 117.55 -167.24 -114.83 125.04 2.94 97.06 0.00 3.10 0.03 0.00 0.00 0.00 0.00 96.42 0.45 76 S C S 46.21 7.31 23.03 30.61 123.32 -168.05 -107.38 155.34 92.09 7.88 0.03 42.44 46.61 1.90 0.00 0.05 0.00 8.80 0.19 77 R C S 143.77 4.10 23.75 27.92 95.84 9.28 56.95 54.82 98.79 1.20 0.01 8.53 88.44 1.83 0.00 0.01 0.00 1.10 0.08 78 L C C 15.84 24.07 10.33 33.93 114.49 -150.09 -77.38 134.91 99.03 0.97 0.01 97.72 1.50 0.02 0.00 0.00 0.00 0.34 0.41 79 E C C 86.45 4.53 24.37 28.61 129.26 -170.84 -122.36 155.61 99.88 0.11 0.01 99.63 0.28 0.00 0.00 0.00 0.00 0.02 0.06 80 P H G 66.66 13.79 14.89 28.68 91.12 -106.60 -58.77 -31.72 3.59 0.02 96.39 0.17 0.20 2.27 0.22 97.13 0.00 0.01 0.00 81 E H G 125.11 3.83 21.48 26.06 90.15 62.85 -71.54 -16.06 2.93 0.03 97.05 0.09 0.15 1.96 0.14 97.63 0.00 0.02 0.00 82 D H G 16.82 19.85 16.86 37.01 94.32 60.93 -88.07 -1.98 3.93 0.05 96.01 0.49 0.39 1.75 0.22 97.11 0.00 0.04 0.00 83 F C C 40.39 18.47 20.32 38.64 116.74 103.61 -82.67 135.18 86.01 13.59 0.40 82.71 3.32 0.13 0.03 0.38 0.00 13.08 0.34 84 A E E 11.28 18.72 23.57 41.57 142.53 157.69 -152.66 170.91 4.90 95.10 0.01 4.53 0.28 0.01 0.00 0.00 0.00 94.82 0.35 85 V E E 27.56 16.64 25.74 42.08 119.76 -108.79 -108.34 131.93 0.65 99.34 0.00 0.60 0.02 0.00 0.00 0.00 0.00 99.36 0.02 86 Y E E 6.94 25.03 21.48 46.42 123.40 -165.36 -114.67 136.55 0.52 99.48 0.00 0.45 0.02 0.00 0.00 0.00 0.00 99.52 0.01 87 Y E E 28.91 17.27 27.18 44.05 130.08 -172.35 -126.36 145.74 1.89 98.10 0.01 1.57 0.12 0.01 0.00 0.00 0.00 98.24 0.04 88 C E E 3.59 24.98 21.25 46.34 124.30 -158.82 -117.43 137.23 7.28 92.64 0.08 6.06 0.82 0.11 0.02 0.04 0.00 92.81 0.15 89 Q E E 40.63 14.00 25.58 39.54 127.06 -170.88 -123.82 142.05 7.46 92.38 0.16 6.42 0.72 0.15 0.04 0.07 0.00 92.28 0.30 90 Q E E 45.15 17.04 18.37 35.05 119.40 -145.19 -104.16 132.46 15.36 84.38 0.26 13.13 1.75 0.41 0.08 0.15 0.00 83.75 0.74 91 Y E E 89.10 10.78 16.77 28.37 118.09 -167.75 -113.20 127.55 39.99 59.39 0.62 30.00 8.49 2.81 0.13 0.55 0.00 56.57 1.45 92 G C S 43.22 4.72 14.49 20.45 123.02 19.25 110.75 -165.96 81.82 16.82 1.35 26.16 32.14 23.57 0.12 1.41 0.00 15.54 1.05 93 S C S 95.26 1.60 13.73 15.76 100.57 -51.86 -88.53 -0.53 94.03 3.83 2.15 22.31 42.28 29.55 0.19 2.18 0.00 2.80 0.69 94 S C S 66.77 4.27 13.20 19.14 122.53 79.87 -104.12 151.28 89.85 7.56 2.59 27.13 47.60 15.44 0.35 2.34 0.00 5.91 1.24 95 A C C 64.68 6.79 16.30 23.98 114.24 -99.65 -76.00 142.93 78.45 19.87 1.67 48.80 21.98 7.25 0.27 1.49 0.00 19.12 1.09 96 W C E 67.38 17.85 13.09 30.31 118.85 -134.57 -98.16 136.08 51.17 47.77 1.06 42.85 5.74 1.77 0.26 0.74 0.00 47.44 1.20 97 T E E 62.62 8.74 22.26 31.50 125.27 -165.22 -121.48 137.65 22.74 76.70 0.56 19.82 2.25 0.60 0.26 0.30 0.00 73.67 3.10 98 F E E 48.91 20.25 15.69 34.93 116.30 -140.28 -96.00 132.09 25.88 73.55 0.57 21.58 3.46 1.01 0.28 0.36 0.00 68.77 4.55 99 G C C 21.30 12.41 18.65 31.25 123.17 -138.75 -82.45 -175.04 69.32 30.31 0.38 50.42 14.94 2.98 0.06 0.35 0.00 30.34 0.92 100 Q C C 122.34 4.34 22.40 27.11 106.16 -66.83 -77.16 72.54 75.13 24.44 0.43 50.62 19.79 3.72 0.05 0.45 0.00 24.62 0.75 101 G C C 16.86 18.68 15.66 33.09 126.97 -120.36 80.54 171.85 66.95 32.84 0.21 55.80 7.40 1.09 0.02 0.19 0.00 35.01 0.49 102 T E E 33.13 14.98 19.76 35.03 127.58 -111.57 -121.31 143.57 9.82 90.14 0.03 8.95 0.54 0.04 0.01 0.01 0.00 90.14 0.30 103 K E E 104.34 9.14 22.90 32.47 117.88 -135.71 -94.73 133.17 1.37 98.63 0.01 1.19 0.08 0.01 0.00 0.00 0.00 98.66 0.05 104 V E E 10.95 23.10 14.19 37.29 122.03 -165.96 -116.55 133.09 1.44 98.55 0.01 1.37 0.04 0.00 0.00 0.00 0.00 98.55 0.03 105 E E E 97.66 5.20 23.97 29.49 116.77 -152.74 -103.66 127.74 3.04 96.94 0.01 2.99 0.08 0.01 0.00 0.00 0.00 96.78 0.12 106 I E E 25.60 21.47 10.96 31.61 114.96 -152.70 -96.33 126.48 19.42 80.51 0.06 19.61 0.25 0.04 0.03 0.02 0.00 79.15 0.89 107 K C C 125.34 4.19 20.19 25.14 116.23 -164.46 -106.03 130.43 99.04 0.96 0.00 99.12 0.05 0.01 0.00 0.00 0.00 0.80 0.01